1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide

C22H32N4O3Si — CID 11373744

IUPAC1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](CCn1ccc2ccc(O)cc21)n1cnc(C(N)=O)c1
InChIInChI=1S/C22H32N4O3Si/c1-22(2,3)30(4,5)29-14-17(26-13-19(21(23)28)24-15-26)9-11-25-10-8-16-6-7-18(27)12-20(16)25/h6-8,10,12-13,15,17,27H,9,11,14H2,1-5H3,(H2,23,28)/t17-/m1/s1
InChIKeyKTCFLSXCZQIADD-QGZVFWFLSA-N
MW428.61 g/mol
LogP4.30
Rot. Bonds8

About 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide

1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide (PubChem CID 11373744) has the molecular formula C22H32N4O3Si and a molecular weight of 428.61 g/mol. Its IUPAC name is 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide
PubChem CID11373744
Molecular FormulaC22H32N4O3Si
Molecular Weight428.61 g/mol
Exact Mass428.22
IUPAC Name1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](CCn1ccc2ccc(O)cc21)n1cnc(C(N)=O)c1
InChIInChI=1S/C22H32N4O3Si/c1-22(2,3)30(4,5)29-14-17(26-13-19(21(23)28)24-15-26)9-11-25-10-8-16-6-7-18(27)12-20(16)25/h6-8,10,12-13,15,17,27H,9,11,14H2,1-5H3,(H2,23,28)/t17-/m1/s1
InChIKeyKTCFLSXCZQIADD-QGZVFWFLSA-N
XLogP4.30
TPSA95.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide (CID 11373744) is 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide is CC(C)(C)[Si](C)(C)OC[C@@H](CCn1ccc2ccc(O)cc21)n1cnc(C(N)=O)c1.
What is the InChIKey of 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide?
The InChIKey is KTCFLSXCZQIADD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O3Si/c1-22(2,3)30(4,5)29-14-17(26-13-19(21(23)28)24-15-26)9-11-25-10-8-16-6-7-18(27)12-20(16)25/h6-8,10,12-13,15,17,27H,9,11,14H2,1-5H3,(H2,23,28)/t17-/m1/s1.
What are the key properties of 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide?
1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide has a molecular weight of 428.61 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(6-hydroxyindol-1-yl)butan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 11373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).